Geometry & MOs

Info

ID:	343189
PubChem CID:	127266362
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	3.01
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-[(1-methylpyrazol-3-yl)carbamoyl]piperidin-2-yl]propanoate

Drug info:

PubChemData

Smile

C1CC(CCC1N(CC2=CC(=CC=C2)O)C(=O)NC3=CC=CC=N3)O

DOS

IR

Vibrations